Compound Detail
CHEMBL3655092
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Basic Information
| ChEMBL ID | CHEMBL3655092 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APLGHEBYNMYFAZ-NWDGAFQWSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
1.64
ALogP
5
HBA
2
HBD
91.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.24 | 6.24 | 574.0 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 5.69 | 5.69 | 2040.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 5.22 | 5.22 | 5950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 29.0 | nM | 7.54 | Enzyme Assay: Test article and assay controls were added to a 384-well plate. Re... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 574.0 | nM | 6.24 | Enzyme Assay: Test article and assay controls were added to a 384-well plate. Re... | - |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 2040.0 | nM | 5.69 | Enzyme Assay: Test article and assay controls were added to a 384-well plate. Re... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 5950.0 | nM | 5.22 | Enzyme Assay: Test article and assay controls were added to a 384-well plate. Re... | - |
Data from ChEMBL 36 via Core Engine